SCHEMBL676078

SCHEMBL676078

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccco3)cc2c2ccc(-c3ccco3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
KAT6A Q92794 1/20 0.38
ADORA2A P29274 4/20 0.38
SRC P12931 2/20 0.36
ADORA1 P30542 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A2 P43354 1/20 0.35
CXCL8 P10145 1/20 0.35
NOD1 Q9Y239 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3669859 0.88 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDTSHRKAT6A
SCHEMBL674647 0.86 MAPT (0.43) ALDH1A1ADORA2AADORA1MAPTNOD1
SCHEMBL3721458 0.82 CNR2 (0.37) ALDH1A1HSD17B10HPGDTSHRKAT6A
SCHEMBL675183 0.81 HTR6 (0.47) ALDH1A1SRCMAPTSMN1; SMN2CXCL8
SCHEMBL3666385 0.79 SRC (0.38) ALDH1A1HSD17B10HPGDTSHRKAT6A
SCHEMBL676831 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDTSHRKAT6A
SCHEMBL3664606 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10HPGDTSHRKAT6A
SCHEMBL675444 0.74 HTR6 (0.46) ALDH1A1TSHRKAT6AMAPTSMN1; SMN2
SCHEMBL676160 0.74 NOD1 (0.44) ALDH1A1HPGDSRCMAPTSMN1; SMN2
SCHEMBL3668236 0.73 HTR6 (0.46) SRCCXCL8NOD1HTR6CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 ALDH1A1 749/4885HSD17B10 2928/4885HPGD 4079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.